ARN272 - ≥98% , CAS No.488793-85-7

CAS: 488793-85-7 Cat. No.: A412210 Formule: C₂₇H₂₀N₄O₂ Poids moléculaire: 432.47

GRADE & PURITY ≥98%

Synonyms

4-[[4-(4-hydroxyphenyl)-1-phthalazinyl]amino]-N-phenyl-benzamide

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Information

ARN272 is a FAAH-like anandamide transporter (FLAT) inhibitor.

Specifications

Synonymes

4-[[4-(4-hydroxyphenyl)-1-phthalazinyl]amino]-N-phenyl-benzamide

Spécifications et pureté

≥98%

Mécanismes biochimiques et physiologiques

ARN272 is a FAAH-like anandamide transporter (FLAT) inhibitor.

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Type d'action

INHIBITOR

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 488191810
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488191810
• Sourires canoniques: C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC3=NN=C(C4=CC=CC=C43)C5=CC=C(C=C5)O
• IUPAC Name: 4-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]-N-phenylbenzamide
• InChIKey: UPKNGUQNXSMHBE-UHFFFAOYSA-N
• INCHI: 1S/C27H20N4O2/c32-22-16-12-18(13-17-22)25-23-8-4-5-9-24(23)26(31-30-25)28-21-14-10-19(11-15-21)27(33)29-20-6-2-1-3-7-20/h1-17,32H,(H,28,31)(H,29,33)
• Isomères SMILES: C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC3=NN=C(C4=CC=CC=C43)C5=CC=C(C=C5)O
• Poids moléculaire: 432.47
• Reaxy-Rn: 43507563
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=43507563&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Anilides
        • Level5 Aromatic anilides
          • Level6 Benzanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Aromatic anilides
• Direct Parent: Benzanilides
• Alternative Parents: Phenylpyridazines Phthalazines Benzamides Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids N-acyl amines Imidolactams Heteroaromatic compounds Amino acids and derivatives Secondary amines Carboxylic acid amides Azacyclic compounds Amidines Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzanilide - Phenylpyridazine - Diazanaphthalene - Phthalazine - Benzoic acid or derivatives - Benzamide - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Imidolactam - Pyridazine - N-acyl-amine - Heteroaromatic compound - Carboxamide group - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Secondary amine - Carboxylic acid derivative - Amidine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propriétés chimiques et physiques

• Poids moléculaire: 432.500 g/mol
• XLogP3: 5.100
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 432.159 Da
• Monoisotopic Mass: 432.159 Da
• Topological Polar Surface Area: 87.100 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 624.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1